On the Recognition of Natural Substrate CTP and Endogenous Inhibitor ddhCTP of SARS-CoV-2 RNA-Dependent RNA Polymerase: A Molecular Dynamics Study
Author:
Affiliation:
1. Dipartimento di Chimica e Tecnologie Chimiche, Università Della Calabria, Via Pietro Bucci, 87036 Arcavacata di Rende, CS, Italy
2. Université Paris-Saclay, CNRS, Institut de Chimie Physique UMR8000, Orsay 91405, France
Funder
Dipartimento di Chimica e Tecnologie Chimiche, Universit? della Calabria
Publisher
American Chemical Society (ACS)
Subject
Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.2c01002
Reference69 articles.
1. Discovery of SARS-CoV-2 antiviral drugs through large-scale compound repurposing
2. Methodology-Centered Review of Molecular Modeling, Simulation, and Prediction of SARS-CoV-2
3. Modeling the Enzymatic Mechanism of the SARS-CoV-2 RNA-Dependent RNA Polymerase by DFT/MM-MD: An Unusual Active Site Leading to High Replication Rates
4. SARS-CoV-2 RNA dependent RNA polymerase (RdRp) targeting: an in silico perspective
5. Coronavirus RNA Proofreading: Molecular Basis and Therapeutic Targeting
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